2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol

C17H26BrNO2 — CID 79061363

IUPAC2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
SMILESCOc1ccc(Br)cc1CC(O)C1(N(C)C)CCCCC1
InChIInChI=1S/C17H26BrNO2/c1-19(2)17(9-5-4-6-10-17)16(20)12-13-11-14(18)7-8-15(13)21-3/h7-8,11,16,20H,4-6,9-10,12H2,1-3H3
InChIKeyCSBQQCCEELRJAQ-UHFFFAOYSA-N
MW356.30 g/mol
LogP3.63
Rot. Bonds5

About 2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol

2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol (PubChem CID 79061363) has the molecular formula C17H26BrNO2 and a molecular weight of 356.30 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
PubChem CID79061363
Molecular FormulaC17H26BrNO2
Molecular Weight356.30 g/mol
Exact Mass355.11
IUPAC Name2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
SMILESCOc1ccc(Br)cc1CC(O)C1(N(C)C)CCCCC1
InChIInChI=1S/C17H26BrNO2/c1-19(2)17(9-5-4-6-10-17)16(20)12-13-11-14(18)7-8-15(13)21-3/h7-8,11,16,20H,4-6,9-10,12H2,1-3H3
InChIKeyCSBQQCCEELRJAQ-UHFFFAOYSA-N
XLogP3.63
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-1-(1-methoxycyclohexyl)ethanamine
CID 116762679
1-(7-bicyclo[4.1.0]heptanyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 115779325
2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclopentyl]ethanone
CID 79067763
1-(5-bromo-2-methoxyphenyl)-4-(dimethylamino)butan-2-ol
CID 113291156
2-(2-bromo-4-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol
CID 79066492
1-(5-bromo-2-methoxyphenyl)-4-cyclopentylbutan-2-ol
CID 115779341
1,2-bis(5-bromo-2-methoxyphenyl)ethanol
CID 63895550
1-(5-bromo-2-methoxyphenyl)-3-cyclobutylpropan-2-ol
CID 103169906
2-(5-bromo-2-methoxyphenyl)-1-[3-(dimethylamino)phenyl]ethanol
CID 105081993
1-(5-bromo-2-methoxyphenyl)-4-methylpentane-2,3-diol
CID 103456639
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-1-cyclopropylethanol
CID 111858724
3-(5-bromo-2-methoxyphenyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79092611

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol (CID 79061363) is 2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol is COc1ccc(Br)cc1CC(O)C1(N(C)C)CCCCC1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol?
The InChIKey is CSBQQCCEELRJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO2/c1-19(2)17(9-5-4-6-10-17)16(20)12-13-11-14(18)7-8-15(13)21-3/h7-8,11,16,20H,4-6,9-10,12H2,1-3H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol?
2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol has a molecular weight of 356.30 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-1-[1-(dimethylamino)cyclohexyl]ethanol is sourced from PubChem (CID 79061363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).